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CHEBI:190949 - 1alpha-methyl-5alpha-androstan-3alpha-ol-17-one glucuronide

ChEBI IDCHEBI:190949
ChEBI Name1alpha-methyl-5alpha-androstan-3alpha-ol-17-one glucuronide
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC26H40O8
Net Charge0
Average Mass480.598
Monoisotopic Mass480.27232
SMILESC[C@H]1C[C@@H](O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O)C[C@@H]2CC[C@@H]3[C@H](CC[C@]4(C)C(=O)CC[C@@H]34)[C@]21C
InChIInChI=1S/C26H40O8/c1-12-10-14(33-24-21(30)19(28)20(29)22(34-24)23(31)32)11-13-4-5-15-16-6-7-18(27)25(16,2)9-8-17(15)26(12,13)3/h12-17,19-22,24,28-30H,4-11H2,1-3H3,(H,31,32)/t12-,13-,14+,15-,16-,17-,19-,20-,21+,22-,24+,25-,26-/m0/s1
InChIKeyRRKQXBKNDQFCNC-MTGPGUOHSA-N
Species of MetaboliteComponentSourceComments
Rattus norvegicus (ncbitaxon:10116) INS-1 cell (BTO:0002135) MetaboLights (MTBLS3963)
ChEBI Ontology
Outgoing Relation(s)
1alpha-methyl-5alpha-androstan-3alpha-ol-17-one glucuronide (CHEBI:190949) is a steroid glucosiduronic acid (CHEBI:26763)
IUPAC Name 
(2S,3S,4S,5R,6R)-6-{[(3aS,3bR,5aS,7R,9S,9aS,9bS,11aS)-9,9a,11a-trimethyl-1-oxo-hexadecahydro-1H-cyclopenta[a]phenanthren-7-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid